2-(2-methyl-1,3-dioxolan-2-yl)-1-phenylethanamine

C12H17NO2 — CID 11413105

IUPAC2-(2-methyl-1,3-dioxolan-2-yl)-1-phenylethanamine
SMILESCC1(CC(N)c2ccccc2)OCCO1
InChIInChI=1S/C12H17NO2/c1-12(14-7-8-15-12)9-11(13)10-5-3-2-4-6-10/h2-6,11H,7-9,13H2,1H3
InChIKeyVXDSPAFERIRQOK-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.84
Rot. Bonds3

About 2-(2-methyl-1,3-dioxolan-2-yl)-1-phenylethanamine

2-(2-methyl-1,3-dioxolan-2-yl)-1-phenylethanamine (PubChem CID 11413105) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-(2-methyl-1,3-dioxolan-2-yl)-1-phenylethanamine.

Molecular Properties

Compound Name2-(2-methyl-1,3-dioxolan-2-yl)-1-phenylethanamine
PubChem CID11413105
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-(2-methyl-1,3-dioxolan-2-yl)-1-phenylethanamine
SMILESCC1(CC(N)c2ccccc2)OCCO1
InChIInChI=1S/C12H17NO2/c1-12(14-7-8-15-12)9-11(13)10-5-3-2-4-6-10/h2-6,11H,7-9,13H2,1H3
InChIKeyVXDSPAFERIRQOK-UHFFFAOYSA-N
XLogP1.84
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-dioxolan-2-yl)-1-phenylethanamine?
The IUPAC name of 2-(2-methyl-1,3-dioxolan-2-yl)-1-phenylethanamine (CID 11413105) is 2-(2-methyl-1,3-dioxolan-2-yl)-1-phenylethanamine.
What is the SMILES notation for 2-(2-methyl-1,3-dioxolan-2-yl)-1-phenylethanamine?
The canonical SMILES for 2-(2-methyl-1,3-dioxolan-2-yl)-1-phenylethanamine is CC1(CC(N)c2ccccc2)OCCO1.
What is the InChIKey of 2-(2-methyl-1,3-dioxolan-2-yl)-1-phenylethanamine?
The InChIKey is VXDSPAFERIRQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-12(14-7-8-15-12)9-11(13)10-5-3-2-4-6-10/h2-6,11H,7-9,13H2,1H3.
What are the key properties of 2-(2-methyl-1,3-dioxolan-2-yl)-1-phenylethanamine?
2-(2-methyl-1,3-dioxolan-2-yl)-1-phenylethanamine has a molecular weight of 207.27 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-dioxolan-2-yl)-1-phenylethanamine is sourced from PubChem (CID 11413105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).